2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H12N4O4 — CID 106109204

IUPAC2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(-c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C11H12N4O4/c1-18-9(6-12)11-13-10(14-19-11)7-4-2-3-5-8(7)15(16)17/h2-5,9H,6,12H2,1H3
InChIKeyIOUIMXZCORSKNY-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.29
Rot. Bonds5

About 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106109204) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106109204
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(-c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C11H12N4O4/c1-18-9(6-12)11-13-10(14-19-11)7-4-2-3-5-8(7)15(16)17/h2-5,9H,6,12H2,1H3
InChIKeyIOUIMXZCORSKNY-UHFFFAOYSA-N
XLogP1.29
TPSA117.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-methyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904122
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106524304
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561059
4-methyl-3-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344972
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109412
3,3-dimethyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351213
5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847240
2-methyl-4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62048144
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
3-(2-nitrophenyl)-5-prop-2-enyl-1,2,4-oxadiazole
CID 70391910
4-(dimethoxymethyl)-2-(2-nitrophenyl)pyrimidine
CID 115531749
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344930

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106109204) is 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is COC(CN)c1nc(-c2ccccc2[N+](=O)[O-])no1.
What is the InChIKey of 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IOUIMXZCORSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-9(6-12)11-13-10(14-19-11)7-4-2-3-5-8(7)15(16)17/h2-5,9H,6,12H2,1H3.
What are the key properties of 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 264.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106109204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).